Agrochemicals

3-Indoleacetonitrile (CAS No. 771-51-7) 

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1. Basic Information

• IUPAC Name: 2-(1H-Indol-3-yl)acetonitrile
• Synonyms:
  • Indole-3-acetonitrile
  • IAN
  • 3-Cyanomethylindole
• CAS Number: 771-51-7
• Molecular Formula: C₁₀H₈N₂
• Molecular Weight: 156.18 g/mol
• Appearance: White to pale yellow crystalline powder
• Odor: Characteristic indole-like odor

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2. Physical and Chemical Properties

Property	Value
Melting Point	150–153°C (302–307°F)
Solubility	– Water: Slightly soluble (0.5 g/L at 25°C)
	– Organic solvents: Soluble in ethanol, DMSO, methanol
Log Pow	1.8 (octanol/water)
Refractive Index	1.620 (20°C)
Flash Point	>150°C (302°F) (closed cup)

 

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3. Hazards (GHS Classification)

• Health Hazards:
  • Harmful if swallowed (H302)
  • Causes skin irritation (H315)
  • Causes serious eye irritation (H319)
• Environmental: Toxic to aquatic life (H411)
• NFPA Rating: Health 2, Flammability 1, Reactivity 0

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4. Storage and Handling

• Storage:
  • Keep in tightly sealed amber containers
  • Store in a cool, dry, well-ventilated area
• Handling:
  • Use nitrile gloves, safety goggles, and a fume hood
  • Avoid dust formation

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5. Applications

• Plant Growth Regulator:
  • Precursor to indole-3-acetic acid (IAA, a natural auxin)
• Pharmaceuticals:
  • Intermediate for serotonin analogs
• Organic Synthesis:
  • Building block for heterocyclic compounds

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